>compound Isovaleric acid
>formula C5H10O2
>parentmass 103.075863618522
>charge 1

>ms1peaks
40.4961574788034 0.679262
43.0191898480469 7.00406
43.0554410618088 2.93687
45.0344107475489 0.886015
57.0706964349086 0.888069
61.0195163546196 5.42669
81.520941182248 5.35948
87.045526348368 2.22778
102.006455533304 20.9942
102.99977895002 42.3295
103.075726635884 100.0
103.165956784111 0.590819

>collision 10.0
40.4948972230822 18.2751
40.9970719852199 0.71526
41.0398104099733 10.4466
42.0354778974756 0.505868
43.0187801135231 61.9684
43.0552649220045 100.0
43.1131084072901 0.533142
45.034676264336 19.4684
54.4979666329732 0.521163
56.9654240642441 0.866546
57.0715355498249 4.52511
59.0498224151734 7.639
61.0292210256779 67.195
61.5093405229392 0.768105
62.9895752279824 0.762506
68.9518285523465 0.910776
85.0648547706731 1.18121
87.0444261325307 6.06849
102.005145522636 1.0813
102.128009090698 2.03535
103.00056598085 3.39294
103.075863618522 72.2376

>collision 20.0
27.0252809051174 0.851342
39.0243098780655 1.06514
40.4948729389114 23.9583
40.995131785635 2.25154
41.0396643380142 47.2975
42.035370284675 0.68117
43.0189219268238 60.0816
43.055220436863 100.0
43.9542762536322 1.0941
45.0345637873673 13.0718
52.9697535062179 1.07035
53.4732315489065 1.15098
57.0704629099097 2.03929
58.0650317497835 1.25621
59.0500585417898 9.35101
60.9875729222608 1.80725
61.029208971101 25.036
102.125640466341 0.729293
103.079535971865 1.01408

>collision 40.0
27.0231754330044 1.83675
29.0031000501283 1.84809
31.01505088192 2.12059
39.0239422548529 22.6438
40.495946113465 7.45579
41.0400145905155 100.0
42.4473981653462 1.65268
43.0185685902203 46.0574
43.054716184084 18.8304
43.9539555990622 2.50898
44.0311358580576 1.54221
45.0337581392256 6.40546
55.0182410470855 8.53562
59.0486124480558 1.57518

